N-[4-(1-azanylethylideneamino)butyl]-2-[2-oxidanylidene-3-(phenylmethyl)-4-(phenylmethyl)sulfonyl-piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(1-azanylethylideneamino)butyl]-2-[2-oxidanylidene-3-(phenylmethyl)-4-(phenylmethyl)sulfonyl-piperazin-1-yl]ethanamide Openeye Name: N-[4-(1-aminoethylideneamino)butyl]-2-(3-benzyl-4-benzylsulfonyl-2-oxo-piperazin-1-yl)acetamide CAS Name: N-[4-(1-aminoethylideneamino)butyl]-2-[2-oxo-3-(phenylmethyl)-4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[4-(1-aminoethylideneamino)butyl]-2-(3-benzyl-4-benzylsulfonyl-2-oxopiperazin-1-yl)acetamide Traditional Name: N-[4-(1-aminoethylideneamino)butyl]-2-(3-benzyl-4-benzylsulfonyl-2-keto-piperazino)acetamide Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCCNC(=O)CN1CCN(C(C1=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(=NCCCCNC(=O)CN1CCN(C(C1=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C26H35N5O4S/c1-21(27)28-14-8-9-15-29-25(32)19-30-16-17-31(36(34,35)20-23-12-6-3-7-13-23)24(26(30)33)18-22-10-4-2-5-11-22/h2-7,10-13,24H,8-9,14-20H2,1H3,(H2,27,28)(H,29,32)