[4-(2-azanylethylamino)-2-[(phenylmethyl)amino]-5-(phenylsulfonyl)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-(2-azanylethylamino)-2-[(phenylmethyl)amino]-5-(phenylsulfonyl)phenyl]-piperazin-1-yl-methanone Openeye Name: [4-(2-aminoethylamino)-5-(benzenesulfonyl)-2-(benzylamino)phenyl]-piperazin-1-yl-methanone CAS Name: [4-(2-aminoethylamino)-5-(benzenesulfonyl)-2-[(phenylmethyl)amino]phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-(2-aminoethylamino)-5-(benzenesulfonyl)-2-(benzylamino)phenyl]-piperazin-1-ylmethanone Traditional Name: [4-(2-aminoethylamino)-2-(benzylamino)-5-besyl-phenyl]-piperazino-methanone Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCC3=CC=CC=C3)NCCN)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCC3=CC=CC=C3)NCCN)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3S/c27-11-12-29-24-18-23(30-19-20-7-3-1-4-8-20)22(26(32)31-15-13-28-14-16-31)17-25(24)35(33,34)21-9-5-2-6-10-21/h1-10,17-18,28-30H,11-16,19,27H2