6-nitro-N-[1-(phenylsulfonyl)piperidin-2-yl]-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: 6-nitro-N-[1-(phenylsulfonyl)piperidin-2-yl]-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[1-(benzenesulfonyl)-2-piperidyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[1-(benzenesulfonyl)-2-piperidinyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[1-(benzenesulfonyl)piperidin-2-yl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: (1-besyl-2-piperidyl)-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C23H27N7O4S MolecularWeight: 497.56998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H27N7O4S/c31-30(32)21-14-18-19(15-20(21)28-12-9-24-10-13-28)25-16-26-23(18)27-22-8-4-5-11-29(22)35(33,34)17-6-2-1-3-7-17/h1-3,6-7,14-16,22,24H,4-5,8-13H2,(H,25,26,27)