2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octyl-benzamide

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octyl-benzamide Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octyl-benzamide CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]-4-octylbenzamide IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octylbenzamide Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazino)methyl]-4-octyl-benzamide Formula: C28H42N4O4S MolecularWeight: 530.72248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C(=C1CN2CCN(CC2)C)N)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCC1=C(C=C(C(=C1CN2CCN(CC2)C)N)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H42N4O4S/c1-4-5-6-7-8-9-10-23-25(20-32-17-15-31(2)16-18-32)27(29)24(28(30)33)19-26(23)37(34,35)22-13-11-21(36-3)12-14-22/h11-14,19H,4-10,15-18,20,29H2,1-3H3,(H2,30,33)