(phenylmethyl) N-[1-[3-(2-azanylethylcarbamoyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[3-(2-azanylethylcarbamoyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[3-(2-aminoethylcarbamoyl)-4-(2-naphthylsulfonyl)piperazine-1-carbonyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[3-[(2-aminoethylamino)-oxomethyl]-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[3-(2-aminoethylcarbamoyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[3-(2-aminoethylcarbamoyl)-4-(2-naphthylsulfonyl)piperazine-1-carbonyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C31H39N5O6S MolecularWeight: 609.73626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(C(C1)C(=O)NCCN)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(C(C1)C(=O)NCCN)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H39N5O6S/c1-22(2)18-27(34-31(39)42-21-23-8-4-3-5-9-23)30(38)35-16-17-36(28(20-35)29(37)33-15-14-32)43(40,41)26-13-12-24-10-6-7-11-25(24)19-26/h3-13,19,22,27-28H,14-18,20-21,32H2,1-2H3,(H,33,37)(H,34,39)