4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C20H29N5O4S2 MolecularWeight: 467.60536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4S2/c1-15(2)22-31(28,29)16-6-7-17(18(13-16)25(26)27)21-14-19(20-5-4-12-30-20)24-10-8-23(3)9-11-24/h4-7,12-13,15,19,21-22H,8-11,14H2,1-3H3